| CAS Number | 1351499-67-6 |
| Catalog Number | AG00HTWQ(AGN-PC-0WR7J9) |
| Chemical Name | 1,3,2-Dioxaborolane, 2-[3-fluoro-4-[(methylsulfonyl)methyl]phenyl]-4,4,5,5-tetramethyl- |
| IUPAC Name | 2-[3-fluoro-4-(methylsulfonylmethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C14H20BFO4S/c1-13(2)14(3,4)20-15(19-13)11-7-6-10(12(16)8-11)9-21(5,17)18/h6-8H,9H2,1-5H3 |
| InChI Key | PLQJXELCMSDSMC-UHFFFAOYSA-N |
| MDL Number | MFCD18760488 |
| Molecular Formula | C14H20BFO4S |
| Molecular Weight | 314.1806 |
| SMILES | CC1(OB(C2=CC(F)=C(C=C2)CS(C)(=O)=O)OC1(C)C)C |
| Synonyms | 1,3,2-Dioxaborolane, 2-[3-fluoro-4-[(methylsulfonyl)methyl]phenyl]-4,4,5,5-tetramethyl-,
1351499-67-6,
ZINC170017309,
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| Complexity | 470 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.178g/mol |
| Monoisotopic Mass | 314.116g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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